Brady Johnston

If you have the time, are you able to have a play around with the development version of Molecular Nodes? I haven't created a new release for it, but you...

Additionally with glycans in particular, from my understanding, there should be a limited list of potential glycans that are possible to have in a structure, yes? If so, is there...

This should now additionally be improved inside of [2.2.1](https://github.com/BradyAJohnston/MolecularNodes/releases/tag/v2.2.1). There is a new selection node 'Ligands' which should basically lump everything inside of it which isn't in the `residues` dictionary...

Thanks for the bug report! I have an idea of what should be the solution for this but I don't personally have access to some LAMMPS files to test with....

Are you able to share what you use as topology / trajectory? I haven't worked with LAMMPS before, and I can't seem to be able to open the files that...

I am able to get it importing by additionally renaming `atoms.dump` to `atoms.lammpsdump` which MDAnlaysis now recognises. In terms of changes to get it importing into MolecularNodes, making the attempt...

Okay I've got atom types and bonds importing. You'll have to explain how to extract the `molecule-id` and `charge` from the MDAnalysis universe because in my testing I wasn't able...

Okay that should be able to be integrated. Would there be a trajectory associated with these files? Multiple timepoints? Do you have an example file if so?

I have just released MolecularNodes 2.3.0, which now enables the parsing of the topology and trajectory files into Blender. You will still have to delete the lines of code that...

Just that most of the nodes for displaying atoms & bonds etc assume the existence of `atomic_number`, which at least this LAMMPS data doesn't have. I should be able to...